N-[3-(2-aminoethoxy)phenyl]-4-(2-methoxy-4-pyridinyl)pyrimidin-2-amine

C18H19N5O2 — CID 170970806

IUPACN-[3-(2-aminoethoxy)phenyl]-4-(2-methoxy-4-pyridinyl)pyrimidin-2-amine
SMILESCOc1cc(-c2ccnc(Nc3cccc(OCCN)c3)n2)ccn1
InChIInChI=1S/C18H19N5O2/c1-24-17-11-13(5-8-20-17)16-6-9-21-18(23-16)22-14-3-2-4-15(12-14)25-10-7-19/h2-6,8-9,11-12H,7,10,19H2,1H3,(H,21,22,23)
InChIKeyHEFSYJAMSUBEKT-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.63
Rot. Bonds7

About N-[3-(2-aminoethoxy)phenyl]-4-(2-methoxy-4-pyridinyl)pyrimidin-2-amine

N-[3-(2-aminoethoxy)phenyl]-4-(2-methoxy-4-pyridinyl)pyrimidin-2-amine (PubChem CID 170970806) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-4-(2-methoxy-4-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]-4-(2-methoxy-4-pyridinyl)pyrimidin-2-amine
PubChem CID170970806
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[3-(2-aminoethoxy)phenyl]-4-(2-methoxy-4-pyridinyl)pyrimidin-2-amine
SMILESCOc1cc(-c2ccnc(Nc3cccc(OCCN)c3)n2)ccn1
InChIInChI=1S/C18H19N5O2/c1-24-17-11-13(5-8-20-17)16-6-9-21-18(23-16)22-14-3-2-4-15(12-14)25-10-7-19/h2-6,8-9,11-12H,7,10,19H2,1H3,(H,21,22,23)
InChIKeyHEFSYJAMSUBEKT-UHFFFAOYSA-N
XLogP2.63
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-(2-aminoethoxy)phenyl]-4-(2-methoxy-4-pyridinyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methoxy-4-pyridinyl)-N-pyrimidin-2-ylpyrimidin-2-amine
CID 170970741
4-(2-methoxy-4-pyridinyl)-N-pyridin-4-ylpyrimidin-2-amine
CID 170970558
4-[2-[3-[[2-(3-methoxyanilino)-6-(2-methoxy-4-pyridinyl)pyrimidin-4-yl]methoxy]anilino]pyrimidin-4-yl]-1H-pyridin-2-one
CID 174198941
N-(3-methoxyphenyl)-4-thiophen-3-ylpyrimidin-2-amine
CID 14347056
N-[3-(2-aminoethoxy)phenyl]-5-bromo-4-methoxypyrimidin-2-amine
CID 106998107
N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine
CID 63121057
N-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114787066
4-(2-butan-2-yloxy-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 16746118
N-(3-fluorophenyl)-4-(6-methoxy-3-pyridinyl)pyrimidin-2-amine
CID 170970463
N-(3-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 10275222
sodium;4-(2-chloro-4-pyridinyl)-N-(3-methylphenyl)pyrimidin-2-amine;hydroxide
CID 23720657
4-[2-(aminomethyl)-4-pyridinyl]-N-(3-chlorophenyl)pyrimidin-2-amine
CID 67365498

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-4-(2-methoxy-4-pyridinyl)pyrimidin-2-amine?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-4-(2-methoxy-4-pyridinyl)pyrimidin-2-amine (CID 170970806) is N-[3-(2-aminoethoxy)phenyl]-4-(2-methoxy-4-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-4-(2-methoxy-4-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-4-(2-methoxy-4-pyridinyl)pyrimidin-2-amine is COc1cc(-c2ccnc(Nc3cccc(OCCN)c3)n2)ccn1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-4-(2-methoxy-4-pyridinyl)pyrimidin-2-amine?
The InChIKey is HEFSYJAMSUBEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-24-17-11-13(5-8-20-17)16-6-9-21-18(23-16)22-14-3-2-4-15(12-14)25-10-7-19/h2-6,8-9,11-12H,7,10,19H2,1H3,(H,21,22,23).
What are the key properties of N-[3-(2-aminoethoxy)phenyl]-4-(2-methoxy-4-pyridinyl)pyrimidin-2-amine?
N-[3-(2-aminoethoxy)phenyl]-4-(2-methoxy-4-pyridinyl)pyrimidin-2-amine has a molecular weight of 337.38 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]-4-(2-methoxy-4-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 170970806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).